[1-oxidanyl-3-(3-phenylsulfanylpropylamino)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-3-(3-phenylsulfanylpropylamino)-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(3-phenylsulfanylpropylamino)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[3-(phenylthio)propylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(3-phenylsulfanylpropylamino)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[3-(phenylthio)propylamino]-1-phosphono-propyl]phosphonic acid Formula: C12H21NO7P2S MolecularWeight: 385.310162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCNCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H21NO7P2S/c14-12(21(15,16)17,22(18,19)20)7-9-13-8-4-10-23-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2,(H2,15,16,17)(H2,18,19,20)